PUBCHEM-ZINC05116242 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.1720 1.5450 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 0.0490 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -0.7170 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -2.1110 1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -2.7890 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -2.0050 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -0.6010 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.1780 -2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -4.2240 -0.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -4.9230 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -4.2300 2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -4.9390 3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -4.2830 4.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -6.3230 3.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -7.0300 2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -8.2510 2.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -6.2860 1.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -6.8340 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -7.0700 4.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -7.4350 5.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -8.3470 6.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -8.7750 7.3160 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -7.4990 7.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -9.3570 6.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -2.8590 2.3100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -4.8660 -1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 2.0340 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 1.8800 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 1.8750 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -0.2270 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -2.4690 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 0.8770 -2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -0.4800 -3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 0.7300 -2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -7.9790 4.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 -6.4690 5.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -6.5210 5.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -7.9290 4.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -9.2860 6.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -7.8720 7.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -2.4330 3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 -4.5410 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -5.9560 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -4.6380 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -9.7250 8.3410 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 45 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 45 -1 M END